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Human Metabolome Database Version 2.5
Showing metabocard for Gibberellin A3 (HMDB03559)
Legend: enzyme field
| Version | 2.5 | ||||||||||||||||||
| Creation Date | 2006-08-13 00:44:01 | ||||||||||||||||||
| Update Date | 2009-05-19 18:10:55 | ||||||||||||||||||
| Accession Number | HMDB03559 | ||||||||||||||||||
| Secondary Accession Numbers | Not Available | ||||||||||||||||||
| Common Name | Gibberellin A3 | ||||||||||||||||||
| Description | Gibberellic acid is a very potent hormone whose natural occurrence in plants controls their development. Since GA regulates growth, applications of very low concentrations can have a profound effect while too much will have the opposite effect. Gibberellic acid is a hormone found in plants. Gibberelic acid is a simple gibberellin promoting growth and elongation of cells. Affects decomposition of plants. Helps plants grow if used in small amounts, but eventually plants grow a tolerance for it. Gibberellic acid stimulates the cells of germinating seeds to produce mRNA molecules that code for hydrolytic enzymes. | ||||||||||||||||||
| Synonyms |
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| Chemical IUPAC Name | 2beta,7alpha-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid | ||||||||||||||||||
| Chemical Formula | C19H22O6 | ||||||||||||||||||
| Chemical Structure |  |
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| Chemical Taxonomy |
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| Average Molecular Weight | 346.374 | ||||||||||||||||||
| Monoisotopic Molecular Weight | 346.141632 | ||||||||||||||||||
| Isomeric SMILES | C[C@@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O | ||||||||||||||||||
| Canonical SMILES | CC12C(O)C=CC3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O | ||||||||||||||||||
| KEGG Compound ID | C01699  |
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| BioCyc ID | CPD-6224 |
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| BiGG ID | Not Available | ||||||||||||||||||
| Wikipedia Link | GA |
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| NuGOwiki Link | HMDB03559 |
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| Metagene Link | HMDB03559 |
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| METLIN ID | 6954 |
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| PubChem Compound | 439551 |
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| PubChem Substance | 4839 |
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| ChEBI ID | 28833 |
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| CAS Registry Number | 77-06-5 | ||||||||||||||||||
| InChI Identifier | InChI=1/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17+,18+,19-/m1/s1 | ||||||||||||||||||
| Synthesis Reference | Lischewski, Manfred; Adam, Guenter. Gibberellin compounds. Ger. (East) (1979), 10 pp. | ||||||||||||||||||
| Melting Point (Experimental) | 234 oC | ||||||||||||||||||
| Experimental Water Solubility | 5 mg/mL [SHIU,WY et al.(1990)] Source: PhysProp | ||||||||||||||||||
| Predicted Water Solubility | 1.95 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS | ||||||||||||||||||
| Physiological Charge | -1 | ||||||||||||||||||
| State | Solid | ||||||||||||||||||
| Experimental LogP/Hydrophobicity | 0.24 [HANSCH,C ET AL. (1995)] Source: PhysProp | ||||||||||||||||||
| Predicted LogP/Hydrophobicity | 0.66 [Predicted by ALOGPS]; -0.6 [Predicted by PubChem via XLOGP] Calculated using ALOGPS | ||||||||||||||||||
| Material Safety Data Sheet (MSDS) | |||||||||||||||||||
| MOL File | Show |
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| SDF File | Show |
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| PDB File | Show |
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| 2D Structure | |||||||||||||||||||
| 3D Structure | |||||||||||||||||||
| Experimental PDB ID | Not Available | ||||||||||||||||||
| Experimental 1H NMR Spectrum | Not Available | ||||||||||||||||||
| Experimental 13C NMR Spectrum | Not Available | ||||||||||||||||||
| Experimental 13C HSQC Spectrum | Not Available | ||||||||||||||||||
| Predicted 1H NMR Spectrum |
Show Image Show Peaklist |
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| Predicted 13C NMR Spectrum |
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| Mass Spectrum | Not Available | ||||||||||||||||||
| Simplified TOCSY Spectrum | Not Available | ||||||||||||||||||
| BMRB Spectrum | Not Available | ||||||||||||||||||
| Cellular Location | Not Available | ||||||||||||||||||
| Biofluid Location | Not Available | ||||||||||||||||||
| Tissue Location | Not Available | ||||||||||||||||||
| Concentrations (Normal) | Not Available | ||||||||||||||||||
| Concentrations (Abnormal) | Not Available | ||||||||||||||||||
| Associated Disorders | Not Available | ||||||||||||||||||
| OMIM ID | Not Available | ||||||||||||||||||
| Pathways | Not Available | ||||||||||||||||||
| General References |
